1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate

C₁₁H₁₇N₃O₂SCAS 365996-05-0255.34 g/mol

Open in Covalent MOL file

Carbamate

Properties

Molecular formula: C₁₁H₁₇N₃O₂S
Molar mass: 255.34 g/mol
Exact mass: 255.1041 Da
Melting point: 91–94 °C
logP: 1.85Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

365996-05-0

SMILES

CC(C)(C)OC(=O)N1CCc2[nH]c(=N)sc2C1

InChIKey

BMLHPGOMLGKYIJ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-5-4-7-8(6-14)17-9(12)13-7/h4-6H2,1-3H3,(H2,12,13)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Thiazolo[5,4-c]pyridine-5(4H)-carboxylic acid, 2-amino-6,7-dihydro-, 1,1-dimethylethyl ester
2-Amino-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid tert-butyl ester
2-Amino-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carboxylic acid tert-butyl ester
tert-Butyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5-(4H)-carboxylate
tert-Butyl 2-amino-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Work with 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl 2-bromo-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate365996-06-153 % similar tert-Butyl 2-bromo-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate949922-62-752 % similar tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate230301-11-851 % similar 2-Amino-4,7-dihydro-5H-thieno[2,3-C]pyridine-3,6-dicarboxylic acid 6-tert butyl ester 3-ethyl ester193537-14-345 % similar tert-Butyl 6-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate158984-83-945 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-945 % similar 1,1-Dimethylethyl 6-bromo-3,4-dihydro-2(1H)-isoquinolinecarboxylate893566-74-045 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(4-Methylpiperazine-1-sulfonyl)aniline21623-68-7

Elsewhere

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